General Information of the Compound
| Compound ID |
CP0485195
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| Compound Name |
(S)-N-(4-amino-4-oxo-1-phenylbutan-2-yl)-5-(1-(4-tert-butylphenyl)-3-(pyridin-4-yl)-1H-pyrazol-5-yl)pentanamide
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| Structure |
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| Formula |
C33H39N5O2
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| Molecular Weight |
537.708
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)-n1nc(cc1CCCCC(=O)N[C@H](CC(N)=O)Cc1ccccc1)-c1ccncc1
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| InChI |
InChI=1S/C33H39N5O2/c1-33(2,3)26-13-15-28(16-14-26)38-29(23-30(37-38)25-17-19-35-20-18-25)11-7-8-12-32(40)36-27(22-31(34)39)21-24-9-5-4-6-10-24/h4-6,9-10,13-20,23,27H,7-8,11-12,21-22H2,1-3H3,(H2,34,39)(H,36,40)/t27-/m0/s1
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| InChIKey |
MXIQCLJJKQXKPD-MHZLTWQESA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound